CID 688181

2-chloro-5-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C8H4ClF3O
SMILES
C1=CC(=C(C=C1C(F)(F)F)C=O)Cl
InChI
InChI=1S/C8H4ClF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKey
OZZOJJJYKYKBNH-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

207.99028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99756 141.1
[M+Na]+ 230.97950 152.1
[M+NH4]+ 226.02410 147.6
[M+K]+ 246.95344 146.0
[M-H]- 206.98300 138.5
[M+Na-2H]- 228.96495 146.2
[M]+ 207.98973 142.0
[M]- 207.99083 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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